6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid

C13H13F2N5O2 — CID 177342538

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2cnnc2)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H13F2N5O2/c14-13(15)3-5-19(6-4-13)11-10(20-7-16-17-8-20)2-1-9(18-11)12(21)22/h1-2,7-8H,3-6H2,(H,21,22)
InChIKeyYYZZPGNULKCWKN-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.60
Rot. Bonds3

About 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid (PubChem CID 177342538) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid
PubChem CID177342538
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-n2cnnc2)c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H13F2N5O2/c14-13(15)3-5-19(6-4-13)11-10(20-7-16-17-8-20)2-1-9(18-11)12(21)22/h1-2,7-8H,3-6H2,(H,21,22)
InChIKeyYYZZPGNULKCWKN-UHFFFAOYSA-N
XLogP1.60
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid (CID 177342538) is 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(-n2cnnc2)c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid?
The InChIKey is YYZZPGNULKCWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c14-13(15)3-5-19(6-4-13)11-10(20-7-16-17-8-20)2-1-9(18-11)12(21)22/h1-2,7-8H,3-6H2,(H,21,22).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-(1,2,4-triazol-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 177342538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).